8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide

C83H92N12O8 — CID 158692747

IUPAC8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide
SMILESCNC(=O)CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CNC(=O)CCCCCNC(=O)CC(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12.CNC(=O)CCCCCNC(=O)CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C29H28N4O4.C28H34N4O2.C26H30N4O2/c1-30-24(34)14-4-2-3-5-15-25(35)33-28(36)26(20-16-31-22-12-8-6-10-18(20)22)27(29(33)37)21-17-32-23-13-9-7-11-19(21)23;1-18-27(20-11-6-8-13-23(20)31-18)22(28-19(2)32-24-14-9-7-12-21(24)28)17-26(34)30-16-10-4-5-15-25(33)29-3;1-27-25(31)13-3-2-8-14-28-26(32)15-20(21-16-29-23-11-6-4-9-18(21)23)22-17-30-24-12-7-5-10-19(22)24/h6-13,16-17,31-32H,2-5,14-15H2,1H3,(H,30,34);6-9,11-14,22,31-32H,4-5,10,15-17H2,1-3H3,(H,29,33)(H,30,34);4-7,9-12,16-17,20,29-30H,2-3,8,13-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyIGODSWOMLGMDLS-UHFFFAOYSA-N
MW1385.72 g/mol
LogP14.35
Rot. Bonds29

About 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide

8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide (PubChem CID 158692747) has the molecular formula C83H92N12O8 and a molecular weight of 1385.72 g/mol. Its IUPAC name is 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide.

Molecular Properties

Compound Name8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide
PubChem CID158692747
Molecular FormulaC83H92N12O8
Molecular Weight1385.72 g/mol
Exact Mass1384.72
IUPAC Name8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide
SMILESCNC(=O)CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CNC(=O)CCCCCNC(=O)CC(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12.CNC(=O)CCCCCNC(=O)CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C29H28N4O4.C28H34N4O2.C26H30N4O2/c1-30-24(34)14-4-2-3-5-15-25(35)33-28(36)26(20-16-31-22-12-8-6-10-18(20)22)27(29(33)37)21-17-32-23-13-9-7-11-19(21)23;1-18-27(20-11-6-8-13-23(20)31-18)22(28-19(2)32-24-14-9-7-12-21(24)28)17-26(34)30-16-10-4-5-15-25(33)29-3;1-27-25(31)13-3-2-8-14-28-26(32)15-20(21-16-29-23-11-6-4-9-18(21)23)22-17-30-24-12-7-5-10-19(22)24/h6-13,16-17,31-32H,2-5,14-15H2,1H3,(H,30,34);6-9,11-14,22,31-32H,4-5,10,15-17H2,1-3H3,(H,29,33)(H,30,34);4-7,9-12,16-17,20,29-30H,2-3,8,13-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyIGODSWOMLGMDLS-UHFFFAOYSA-N
XLogP14.35
TPSA294.69 Ų
H-Bond Donors11
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.72
LogP ≤ 514.35
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide with MolForge

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Related Compounds

10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide
CID 161471783
10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;3,4-bis(2-methyl-1H-indol-3-yl)-1-(7-oxononyl)pyrrole-2,5-dione;3-(1H-indol-3-yl)-4-(3H-indol-3-yl)-1-(8-oxodecanoyl)pyrrole-2,5-dione;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide
CID 163872312
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 42803917
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803966
7-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methylheptanamide;8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;1-[[5-(dimethylamino)naphthalen-1-yl]methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide;3-methyl-N-(6-oxooctyl)-1H-indole-2-carboxamide;1-[(4-methylphenyl)methyl]-N-(6-oxooctyl)-2,3-dihydroindole-2-carboxamide
CID 158671034
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808761
3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803946
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
CID 167105628

Frequently Asked Questions

What is the IUPAC name of 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide?
The IUPAC name of 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide (CID 158692747) is 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide.
What is the SMILES notation for 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide?
The canonical SMILES for 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide is CNC(=O)CCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O.CNC(=O)CCCCCNC(=O)CC(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12.CNC(=O)CCCCCNC(=O)CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide?
The InChIKey is IGODSWOMLGMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4.C28H34N4O2.C26H30N4O2/c1-30-24(34)14-4-2-3-5-15-25(35)33-28(36)26(20-16-31-22-12-8-6-10-18(20)22)27(29(33)37)21-17-32-23-13-9-7-11-19(21)23;1-18-27(20-11-6-8-13-23(20)31-18)22(28-19(2)32-24-14-9-7-12-21(24)28)17-26(34)30-16-10-4-5-15-25(33)29-3;1-27-25(31)13-3-2-8-14-28-26(32)15-20(21-16-29-23-11-6-4-9-18(21)23)22-17-30-24-12-7-5-10-19(22)24/h6-13,16-17,31-32H,2-5,14-15H2,1H3,(H,30,34);6-9,11-14,22,31-32H,4-5,10,15-17H2,1-3H3,(H,29,33)(H,30,34);4-7,9-12,16-17,20,29-30H,2-3,8,13-15H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide?
8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide has a molecular weight of 1385.72 g/mol, XLogP of 14.35, 29 rotatable bonds, 11 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]-N-methyl-8-oxooctanamide;6-[3,3-bis(1H-indol-3-yl)propanoylamino]-N-methylhexanamide;6-[3,3-bis(2-methyl-1H-indol-3-yl)propanoylamino]-N-methylhexanamide is sourced from PubChem (CID 158692747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).